P895-0106 Screening compound: 1-(4-METHOXYPHENYL)-N-{10-METHYL-9-OXO-2-THIA-410-DIAZATRICYCLO[9.4.0.0{38}]PENTADECA-1(15)3(8)461113-HEXAEN-14-YL}CYCLOPROPANE-1-CARBOXAMIDE

Chemical Structure Depiction of ChemDiv screening compound P895-0106
1-(4-METHOXYPHENYL)-N-{10-METHYL-9-OXO-2-THIA-410-DIAZATRICYCLO[9.4.0.0{38}]PENTADECA-1(15)3(8)461113-HEXAEN-14-YL}CYCLOPROPANE-1-CARBOXAMIDE

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P895-0106

Molecular Formula

C₂₄H₂₁N₃O₃S (C24 H21 N3 O3 S)

Compound Name

1-(4-METHOXYPHENYL)-N-{10-METHYL-9-OXO-2-THIA-410-DIAZATRICYCLO[9.4.0.0{38}]PENTADECA-1(15)3(8)461113-HEXAEN-14-YL}CYCLOPROPANE-1-CARBOXAMIDE

IUPAC name

1-(4-methoxyphenyl)-N-{10-methyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}cyclopropane-1-carboxamide

SMILES

CN(c(ccc(NC(C1(CC1)c(cc1)ccc1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C24H21N3O3S/c1-27-19-10-7-16(14-20(19)31-21-18(22(27)28)4-3-13-25-21)26-23(29)24(11-12-24)15-5-8-17(30-2)9-6-15/h3-10,13-14H,11-12H2,1-2H3,(H,26,29)

InChI Key

KIZFOZUTXZFGSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.85

Polar Surface Area

57.377

Acid Dissociation Constant (pK_a)

12.40

Base Dissociation Constant (pK_b)

0.56

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

20.80

P895-0106 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Antiviral
Infections
Immune system
Antiviral
Infections
Immune system
Cancer
Digestive system
Respiratory tract
Otorhinolaryngologic
Endocrine
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic

Targets:

Kinases
Kinases
GPCR
Others

Mechanism of action:

Receptor's ligands
Receptor's ligands
Epigenetic

References: we are preparing a list of scientific research reports with P895-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0106?
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What is the minimum amount of P895-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for P895-0106
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for P895-0106

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P895-0106 available by request